3-Hydroxytetradecane-1,3,4-tricarboxylic acid
Basic information
- CAS
62232-92-2- Standard SMILES
CCCCCCCCCCC(C(=O)O)C(O)(CCC(=O)O)C(=O)O- InChIKey
QFOFNCNFUGQWTO-UHFFFAOYSA-N- Molecular formula
- C17H30O7
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.19915329
Names & identifiers
- Preferred name
- 3-Hydroxytetradecane-1,3,4-tricarboxylic acid
- IUPAC
- 3-hydroxytetradecane-1,3,4-tricarboxylic acid
Names & synonyms
3-hydroxytetradecane-1,3,4-tricarboxylic acid62232-92-2SCHEMBL5826237DTXSID10391911
Database identifiers
- CAS
62232-92-2- PubChem CID
- 3375147
- DTXSID
DTXSID10391911- Nikkaji
- J861.205F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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